Crystallography Open Database

Information card for entry 7105352

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Structure parameters

Formula	C28 H28 N2 O2
Calculated formula	C28 H28 N2 O2
SMILES	O(C)c1c(c2c(c(cc(c2C)C)c2ccncc2)OC)c(c(cc1c1ccncc1)C)C
Title of publication	Water clusters induced assembly of chiral organic microstructures showing reversible phase transformations and luminescence switching.
Authors of publication	Yuan, Guozan; Zhu, Chengfeng; Liu, Yan; Fang, Yu; Cui, Yong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	13
Pages of publication	2307 - 2309
a	18.2891 ± 0.0018 Å
b	6.7249 ± 0.0007 Å
c	19.162 ± 0.002 Å
α	90°
β	98.169 ± 0.002°
γ	90°
Cell volume	2332.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1129
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1767
Weighted residual factors for all reflections included in the refinement	0.2204
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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